9O3T
Crystal Structure of S63A Variant of D-Dopachrome Tautomerase (D-DT)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2024-11-23 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.11583 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.498, 94.267, 91.465 |
| Unit cell angles | 90.00, 112.39, 90.00 |
Refinement procedure
| Resolution | 69.903 - 1.529 |
| Rwork | 0.166 |
| R-free | 0.19610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.714 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.270 | 1.570 |
| High resolution limit [Å] | 1.529 | 1.530 |
| Number of reflections | 177634 | 11843 |
| <I/σ(I)> | 7.19 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.997 | 0.597 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Tris pH 7.8, 24% PEG 3350 |
